1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene

C13H17Br — CID 82088100

IUPAC1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene
SMILESCCc1ccc(C(CBr)C2CC2)cc1
InChIInChI=1S/C13H17Br/c1-2-10-3-5-11(6-4-10)13(9-14)12-7-8-12/h3-6,12-13H,2,7-9H2,1H3
InChIKeyKHWPPPYWZKMCNU-UHFFFAOYSA-N
MW253.18 g/mol
LogP4.14
Rot. Bonds4

About 1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene

1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene (PubChem CID 82088100) has the molecular formula C13H17Br and a molecular weight of 253.18 g/mol. Its IUPAC name is 1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene.

Molecular Properties

Compound Name1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene
PubChem CID82088100
Molecular FormulaC13H17Br
Molecular Weight253.18 g/mol
Exact Mass252.05
IUPAC Name1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene
SMILESCCc1ccc(C(CBr)C2CC2)cc1
InChIInChI=1S/C13H17Br/c1-2-10-3-5-11(6-4-10)13(9-14)12-7-8-12/h3-6,12-13H,2,7-9H2,1H3
InChIKeyKHWPPPYWZKMCNU-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-1-cyclopropylethyl)benzene
CID 57168506
1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene
CID 82946371
(4-ethylphenyl)-(3-methylcyclopentyl)methanol
CID 65401353
2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde
CID 12603975
2-cyclopropyl-1-(4-ethylphenyl)propan-1-ol
CID 83148065
[2-bromo-2-(4-ethylphenyl)ethyl]cycloheptane
CID 114458721
2-cyclopentyl-2-(4-ethylphenyl)acetonitrile
CID 82078345
1,4-diethylbenzene;ethane
CID 91207141
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene
CID 56997239
[(4-tert-butylcyclohexyl)-(4-ethylphenyl)methyl]hydrazine
CID 105232777
(S)-cyclobutyl-(4-ethylphenyl)methanamine;hydrochloride
CID 171230830

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene?
The IUPAC name of 1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene (CID 82088100) is 1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene.
What is the SMILES notation for 1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene?
The canonical SMILES for 1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene is CCc1ccc(C(CBr)C2CC2)cc1.
What is the InChIKey of 1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene?
The InChIKey is KHWPPPYWZKMCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br/c1-2-10-3-5-11(6-4-10)13(9-14)12-7-8-12/h3-6,12-13H,2,7-9H2,1H3.
What are the key properties of 1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene?
1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene has a molecular weight of 253.18 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1-cyclopropylethyl)-4-ethylbenzene is sourced from PubChem (CID 82088100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).